(E)-N-[[[2-(5-pyrrolidin-1-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C15H18N8O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(5-pyrrolidin-1-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(5-pyrrolidin-1-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C15H18N8O2S2
Smiles	O=C(Cn1nnc(N2CCCC2)n1)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C15H18N8O2S2/c24-12(6-5-11-4-3-9-27-11)16-15(26)19-17-13(25)10-23-20-14(18-21-23)22-7-1-2-8-22/h3-6,9H,1-2,7-8,10H2,(H,17,25)(H2,16,19,24,26)
InChIK	RGAUYDWLPUGMBH-UHFFFAOYSA-N
TotalMolweight	406.494
Molweight	406.494
MonoisotopicMass	406.099412
CLogP	0.5246
CLogS	-3.151
H Acceptors	10
H Donors	3
TotalSurfaceArea	309.13
Relative PSA	0.49219
PolarSurfaceArea	177.4
Druglikeness	1.2998
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-N-[[[2-(5-pyrrolidin-1-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[[2-(5-pyrrolidin-1-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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